N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C16H22N2O2 — CID 9178578

IUPACN-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCN1C(=O)[C@H](NC(C)=O)c2c(C)ccc(C)c21
InChIInChI=1S/C16H22N2O2/c1-5-6-9-18-15-11(3)8-7-10(2)13(15)14(16(18)20)17-12(4)19/h7-8,14H,5-6,9H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyJUWARGPFOUYGHK-CQSZACIVSA-N
MW274.36 g/mol
LogP2.63
Rot. Bonds4

About N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178578) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178578
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCN1C(=O)[C@H](NC(C)=O)c2c(C)ccc(C)c21
InChIInChI=1S/C16H22N2O2/c1-5-6-9-18-15-11(3)8-7-10(2)13(15)14(16(18)20)17-12(4)19/h7-8,14H,5-6,9H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyJUWARGPFOUYGHK-CQSZACIVSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178578) is N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is CCCCN1C(=O)[C@H](NC(C)=O)c2c(C)ccc(C)c21.
What is the InChIKey of N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is JUWARGPFOUYGHK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-6-9-18-15-11(3)8-7-10(2)13(15)14(16(18)20)17-12(4)19/h7-8,14H,5-6,9H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-butyl-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).